! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   4.4260457640  -1.3179652633   0.1694869002
O   -1.9073550054   0.2117577174  -1.3395949296
N   -0.6246931739   2.3901955758   0.1922467366
N    0.4226987415   2.7102092957   0.9566846461
N    0.6206273375   3.6482840517  -1.0704776296
C   -2.1834170025  -2.3330116067   0.0311282976
C   -3.1300343976  -3.4688759150   0.2552344629
C   -3.1050851093  -2.7766593178  -1.0722504249
C   -2.3187607425  -0.9916894637   0.7336459284
C   -1.4553138250   0.0611764363  -0.0127975041
C   -3.7610155219  -0.5300763193   0.9126902539
C   -1.6212915360   1.4448072054   0.6384815618
C    0.0227327402  -0.3139795790   0.0233435665
C    0.6480329588  -0.6249910305   1.2292034407
C    0.7970716524  -0.2954741700  -1.1307650402
C    1.9960058476  -0.9351820495   1.2842634865
C    2.1507096224  -0.6016067977  -1.0948242125
C   -0.4855840163   2.9452069841  -1.0124522047
C    2.7391184330  -0.9242651084   0.1143059286
C    1.1339971633   3.4641678920   0.1602244547
H   -1.1512249477  -2.6445921163  -0.0958437715
H   -3.9947260152  -3.3150227353   0.8881722695
H   -2.7094269628  -4.4637576898   0.3231468138
H   -2.6739978359  -3.2984455312  -1.9173261268
H   -3.9545660830  -2.1550706805  -1.3269187300
H   -1.8943253738  -1.1114383384   1.7350051124
H   -4.2386615410  -0.2630002670  -0.0297661438
H   -3.8211557429   0.3368616281   1.5699338612
H   -4.3635147571  -1.3058786297   1.3841341211
H   -1.5295605552   1.3712352158   1.7200429119
H   -2.6076827294   1.8487034968   0.4133536033
H   -1.9213036001  -0.6562619485  -1.7615531471
H    0.0886536271  -0.6249956161   2.1561110186
H    0.3568311780  -0.0390122902  -2.0841382449
H    2.4584747184  -1.1788515991   2.2309252885
H    2.7331267874  -0.5864567746  -2.0060356141
H   -1.2092891404   2.8323889706  -1.8028161191
H    2.0609443054   3.9098719362   0.4855853970
*